SCHEMBL10114277

SCHEMBL10114277

CCC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(N(C)CC(C)C)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ GLA P06280 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ADRB2 P07550 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13203718 0.78 NPY5R (0.50) SMN1; SMN2LMNAGAAUSP2HPGD
SCHEMBL10113098 0.78 NPY5R (0.50) SMN1; SMN2LMNAGAAUSP2HPGD
SCHEMBL14418436 0.77 HTT (0.51) SMN1; SMN2LMNAGAAUSP2HPGD
SCHEMBL10114282 0.77 HTT (0.51) SMN1; SMN2LMNAGAAUSP2HPGD
SCHEMBL10113959 0.74 GRIA2 (0.50) SMN1; SMN2LMNAGAAUSP2HPGD
SCHEMBL10114848 0.74 NPC1 (0.53) SMN1; SMN2LMNAUSP2HPGDKDM4E
SCHEMBL14424368 0.74 NPC1 (0.53) SMN1; SMN2LMNAUSP2HPGDKDM4E
SCHEMBL10114264 0.73 MEN1 (0.45) KDM4EALDH1A1NPY5RNPC1RAB9A
SCHEMBL10133142 0.72 SMN1; SMN2 (0.65) SMN1; SMN2LMNAGAAUSP2HPGD
SCHEMBL14424375 0.72 NPY5R (0.58) GAAKDM4ENPY5RTSHRNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 — — US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 — — US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 — — US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 — — US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R SMN1; SMN2 2213/4885LMNA 1925/4885GAA 3448/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMN1; SMN2 2197/4885LMNA 2068/4885GAA 3316/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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